ethyl 6-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(trifluoromethyl)benzamido}methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(trifluoromethyl)benzamido}methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(trifluoromethyl)benzamido}methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8018-0909 |
| Compound Name: | ethyl 6-({N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(trifluoromethyl)benzamido}methyl)-4-(4-methoxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 611.57 |
| Molecular Formula: | C31 H28 F3 N3 O7 |
| Smiles: | CCOC(C1C(c2ccc(cc2)OC)NC(NC=1CN(Cc1ccc2c(c1)OCO2)C(c1ccc(cc1)C(F)(F)F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4258 |
| logD: | 4.2102 |
| logSw: | -4.3514 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.651 |
| InChI Key: | YSSBKBOYOWRACU-HHHXNRCGSA-N |